TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 460.387 | Formula: C21H22BrN3O2S
H donors: 2 H acceptors: 1 LogP: 5.06 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: S=C(Nc1ccc(cc1)Br)NCc1cn(c2c1cccc2)C(=O)OC(C)(C)C
InChi: 1S/C21H22BrN3O2S/c1-21(2,3)27-20(26)25-13-14(17-6-4-5-7-18(17)25)12-23-19(28)24-16-10-8-15(22)9-11-16/h4-11,13H,12H2,1-3H3,(H2,23,24,28)
InChiKey: ROOYMJJGTXEFEG-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0121	0.0067
Trypanosoma cruzi	serine/threonine-protein kinase NRKB, putative	0.0023	0.0188	0.1526
Echinococcus multilocularis	DCC interacting protein 13 beta	0.002	0.0163	0.0129
Trichomonas vaginalis	esterase, putative	0.0036	0.0327	0.1176
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0327	0.0274
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.002	0.0163	0.0163
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0023	0.0188	0.0652
Brugia malayi	Syntrophin-1	0.002	0.0163	0.0479
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0327	0.0293
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0096	0.0981	0.0981
Echinococcus multilocularis	regulator of G protein signaling 3	0.0096	0.0981	0.095
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0327	0.5
Schistosoma mansoni	regulator of G protein signaling	0.0096	0.0981	0.0981
Loa Loa (eye worm)	RGS-3 protein	0.0096	0.0981	0.0931
Brugia malayi	Pre-SET motif family protein	0.022	0.2338	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0513	0.201
Trichomonas vaginalis	protein transport protein sec7, putative	0.002	0.0163	0.0558
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0188	0.0306
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Toxoplasma gondii	protein kinase domain-containing protein	0.0023	0.0188	0.0604
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0023	0.0188	0.1526
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.0652	0.0652
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0096	0.0981	0.3641
Schistosoma mansoni	axis inhibition protein axin	0.0096	0.0981	0.0981
Brugia malayi	PH domain containing protein	0.002	0.0163	0.0479
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0023	0.0188	0.0134
Schistosoma mansoni	axis inhibition protein axin	0.0096	0.0981	0.0981
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0981	0.3641
Entamoeba histolytica	hypothetical protein	0.0096	0.0981	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0327	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0981	0.0931
Brugia malayi	probable spectrin beta chain	0.002	0.0163	0.0479
Trypanosoma cruzi	NIMA-related kinase, putative	0.0023	0.0188	0.1526
Echinococcus granulosus	axis inhibition protein axin	0.0096	0.0981	0.095
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0327	0.1176
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0327	0.0274
Echinococcus multilocularis	Pleckstrin y	0.002	0.0163	0.0129
Mycobacterium ulcerans	lipase LipD	0.0036	0.0327	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0121	0.0087
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0023	0.0188	0.1526
Brugia malayi	PH domain containing protein	0.002	0.0163	0.0479
Echinococcus granulosus	pleckstrin y domain containing family A	0.002	0.0163	0.0129
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0327	0.1176
Brugia malayi	PXA domain containing protein	0.0096	0.0981	0.406
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0188	0.0306
Echinococcus granulosus	GRB2 associated binding protein 3	0.002	0.0163	0.0129
Brugia malayi	A-kinase anchor protein 10, precursor	0.0096	0.0981	0.406
Loa Loa (eye worm)	GTP-ase activating protein for Arf containing protein	0.002	0.0163	0.0109
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Echinococcus granulosus	oxysterol binding protein 1	0.002	0.0163	0.0129
Trypanosoma cruzi	NIMA-related kinase, putative	0.0023	0.0188	0.1526
Brugia malayi	Dynamin	0.002	0.0163	0.0479
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Echinococcus multilocularis	myotubularin protein 13	0.002	0.0163	0.0129
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0096	0.0981	0.406
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Schistosoma mansoni	serine/threonine-protein kinase	0.0023	0.0188	0.0188
Schistosoma mansoni	zinc finger protein	0.002	0.0163	0.0163
Echinococcus multilocularis	oxysterol binding protein 9	0.002	0.0163	0.0129
Brugia malayi	PXA domain containing protein	0.0096	0.0981	0.406
Loa Loa (eye worm)	syntrophin-1	0.002	0.0163	0.0109
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0023	0.0188	0.1526
Echinococcus multilocularis	regulator of G protein signaling	0.0096	0.0981	0.095
Echinococcus granulosus	regulator of G protein signaling 3	0.0096	0.0981	0.095
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1599	0.1553
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.029	0.0256
Plasmodium vivax	SET domain protein, putative	0.0032	0.029	0.7758
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0327	1
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0121	0.0297
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.002	0.0163	0.0109
Echinococcus multilocularis	FERM and pleckstrin domain containing protein	0.002	0.0163	0.0129
Schistosoma mansoni	cpg binding protein	0.0032	0.0289	0.0289
Entamoeba histolytica	protein kinase, putative	0.0023	0.0188	0.0306
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Brugia malayi	Pre-SET motif family protein	0.0032	0.029	0.1036
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0332	0.1217
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0121	0.0087
Echinococcus multilocularis	pleckstrin y domain containing family A	0.002	0.0163	0.0129
Schistosoma mansoni	syntrophin	0.002	0.0163	0.0163
Onchocerca volvulus		0.0032	0.029	0.0508
Brugia malayi	PH domain containing protein	0.002	0.0163	0.0479
Schistosoma mansoni	centaurin alpha	0.002	0.0163	0.0163
Echinococcus multilocularis	ras specific guanine nucleotide releasing factor	0.002	0.0163	0.0129
Schistosoma mansoni	goodpasture antigen-binding protein	0.002	0.0163	0.0163
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0924	1	1
Trichomonas vaginalis	ankyrin repeat and FYVE domain containing protein, putative	0.002	0.0163	0.0558
Schistosoma mansoni	serine/threonine-protein kinase	0.0023	0.0188	0.0188
Echinococcus granulosus	regulator of G protein signaling 3	0.0096	0.0981	0.095
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0923	0.0891
Schistosoma mansoni	serine/threonine protein kinase	0.0924	1	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0055	0.002
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0188	0.0306
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Trypanosoma cruzi	Protein kinase B	0.0023	0.0188	0.1526
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0327	0.0327
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0923	0.0923
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0096	0.0981	0.0981
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0023	0.0188	0.1526
Loa Loa (eye worm)	PH domain-containing protein	0.002	0.0163	0.0109
Entamoeba histolytica	hypothetical protein	0.0023	0.0188	0.0306
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0513	0.201
Echinococcus granulosus	collagen type iv alpha 3 binding protein	0.002	0.0163	0.0129
Echinococcus multilocularis	axis inhibition protein axin	0.0096	0.0981	0.095
Echinococcus multilocularis	dnaJ subfamily B	0.0431	0.4639	0.462
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Brugia malayi	PH domain containing protein	0.002	0.0163	0.0479
Brugia malayi	hypothetical protein	0.0096	0.0981	0.406
Brugia malayi	regulator of G-protein signaling rgs-7	0.0096	0.0981	0.406
Echinococcus multilocularis	actin binding protein anillin	0.002	0.0163	0.0129
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0023	0.0188	0.1526
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.029	0.029
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1599	0.1553
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0327	1
Echinococcus multilocularis	axis inhibition protein axin	0.0096	0.0981	0.095
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Echinococcus multilocularis	beta 1 syntrophin	0.002	0.0163	0.0129
Brugia malayi	PH domain containing protein	0.002	0.0163	0.0479
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.027	0.0237
Brugia malayi	beta-lactamase family protein	0.0036	0.0327	0.1197
Loa Loa (eye worm)	uncoordinated protein 104	0.002	0.0163	0.0109
Echinococcus multilocularis	pdz domain containing protein	0.002	0.0163	0.0129
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.0023	0.0188	0.1526
Entamoeba histolytica	hypothetical protein	0.0096	0.0981	1
Loa Loa (eye worm)	oxysterol binding protein	0.002	0.0163	0.0109
Toxoplasma gondii	ABC1 family protein	0.0036	0.0327	0.3955
Brugia malayi	beta-lactamase	0.0036	0.0327	0.1197
Echinococcus multilocularis	Oxysterol binding protein 11	0.002	0.0163	0.0129
Brugia malayi	Dynamin	0.002	0.0163	0.0479
Entamoeba histolytica	protein kinase, putative	0.0023	0.0188	0.0306
Toxoplasma gondii	calcium dependent protein kinase CDPK7	0.0023	0.0188	0.0604
Leishmania major	protein kinase, putative	0.0023	0.0188	0.1526
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0981	0.3641
Trichomonas vaginalis	alpha chimerin, putative	0.002	0.0163	0.0558
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.002	0.0163	0.0558
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0327	0.5
Entamoeba histolytica	protein kinase, putative	0.0023	0.0188	0.0306
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0923	0.0923
Brugia malayi	Protein kinase domain containing protein	0.0023	0.0188	0.0589
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0098	0.1006	0.0957
Echinococcus multilocularis	Arf GAP and Pleckstrin domain containing protein	0.002	0.0163	0.0129
Entamoeba histolytica	protein kinase, putative	0.0023	0.0188	0.0306
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.2412	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.0923	0.3805
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Brugia malayi	GTP-ase activating protein for Arf containing protein	0.002	0.0163	0.0479
Schistosoma mansoni	regulator of G protein signaling	0.0096	0.0981	0.0981
Echinococcus granulosus	G protein coupled receptor kinase 1	0.0828	0.8959	0.8955
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Echinococcus multilocularis	dynamin 1	0.002	0.0163	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Echinococcus granulosus	regulator of G protein signaling 7	0.0096	0.0981	0.095
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0327	0.0293
Trichomonas vaginalis	centaurin alpha, putative	0.002	0.0163	0.0558
Entamoeba histolytica	hypothetical protein	0.0096	0.0981	1
Echinococcus granulosus	Pleckstrin y	0.002	0.0163	0.0129
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0023	0.0188	0.1526
Echinococcus granulosus	FERM and pleckstrin domain containing protein	0.002	0.0163	0.0129
Echinococcus granulosus	calcium dependent secretion activator 1	0.002	0.0163	0.0129
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0513	0.046
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0096	0.0981	0.0981
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.029	0.3068
Echinococcus granulosus	GPCR family 2	0.0017	0.0121	0.0087
Loa Loa (eye worm)	PXA domain-containing protein	0.0096	0.0981	0.0931
Schistosoma mansoni	hypothetical protein	0.002	0.0163	0.0163
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Schistosoma mansoni	vav2	0.002	0.0163	0.0163
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0096	0.0981	0.095
Echinococcus granulosus	Regulator of G protein signaling 20	0.0096	0.0981	0.095
Brugia malayi	Cytohesin 3	0.002	0.0163	0.0479
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0023	0.0188	0.1526
Echinococcus granulosus	muscleblind protein	0.0152	0.1599	0.157
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0121	0.0297
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Leishmania major	protein kinase, putative	0.0023	0.0188	0.1526
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0188	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0032	0.029	0.0237
Schistosoma mansoni	dynamin	0.002	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Echinococcus multilocularis	calcium dependent secretion activator 1	0.002	0.0163	0.0129
Echinococcus multilocularis	regulator of G protein signaling 7	0.0096	0.0981	0.095
Trypanosoma brucei	serine/threonine-protein kinase NrkA	0.0023	0.0188	0.1526
Onchocerca volvulus		0.0251	0.2668	1
Echinococcus multilocularis	rac serine:threonine kinase	0.0023	0.0188	0.0154
Entamoeba histolytica	hypothetical protein	0.0023	0.0188	0.0306
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.002	0.0163	0.0558
Schistosoma mansoni	goodpasture antigen-binding protein	0.002	0.0163	0.0163
Echinococcus granulosus	dynamin 1	0.002	0.0163	0.0129
Leishmania major	folate/biopterin transporter, putative	0.0023	0.0188	0.1526
Echinococcus granulosus	expressed protein	0.0096	0.0981	0.095
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Echinococcus multilocularis	oxysterol binding protein 3	0.002	0.0163	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Brugia malayi	Cadps2 protein	0.002	0.0163	0.0479
Brugia malayi	Oxysterol binding protein	0.002	0.0163	0.0479
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.002	0.0163	0.0558
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0327	0.1176
Schistosoma mansoni	hypothetical protein	0.0431	0.4639	0.4639
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0327	0.5
Trypanosoma brucei	Serine/threonine-protein kinase NEK21, putative	0.0023	0.0188	0.1526
Entamoeba histolytica	p21-activated kinase	0.0023	0.0188	0.0306
Echinococcus granulosus	dnaJ subfamily B	0.0431	0.4639	0.462
Brugia malayi	beta-lactamase family protein	0.0036	0.0327	0.1197
Echinococcus multilocularis	expressed protein	0.0096	0.0981	0.095
Schistosoma mansoni	cpg binding protein	0.0032	0.0289	0.0289
Schistosoma mansoni	rhogef and pleckstrin domain protein	0.002	0.0163	0.0163
Echinococcus multilocularis	regulator of G protein signaling 7	0.0096	0.0981	0.095
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.029	0.0256
Brugia malayi	TBC domain containing protein	0.002	0.0163	0.0479
Schistosoma mansoni	serine/threonine protein kinase	0.0098	0.1006	0.1006
Plasmodium falciparum	calcium-dependent protein kinase 7	0.0023	0.0188	1
Schistosoma mansoni	phosphoinositol 4-phosphate adaptor protein	0.002	0.0163	0.0163
Onchocerca volvulus		0.0036	0.0327	0.0655
Echinococcus multilocularis	Pleckstrin domain containing protein, family B	0.002	0.0163	0.0129
Schistosoma mansoni	zinc finger protein	0.002	0.0163	0.0163
Echinococcus granulosus	Pleckstrin y	0.002	0.0163	0.0129
Trypanosoma brucei	serine/threonine-protein kinase NRKB, putative	0.0023	0.0188	0.1526
Entamoeba histolytica	protein kinase, putative	0.0023	0.0188	0.0306
Echinococcus multilocularis	type II inositol 3,4 bisphosphate 4 phosphatase	0.002	0.0163	0.0129
Brugia malayi	hypothetical protein	0.0096	0.0981	0.406
Schistosoma mansoni	regulator of G protein signaling	0.0096	0.0981	0.0981
Echinococcus granulosus	regulator of G protein signaling 7	0.0096	0.0981	0.095
Trichomonas vaginalis	centaurin/arf, putative	0.002	0.0163	0.0558
Brugia malayi	MAX-1A	0.002	0.0163	0.0479
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0923	0.0891
Echinococcus granulosus	oxysterol binding protein 9	0.002	0.0163	0.0129
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Trichomonas vaginalis	development and differentiation-enhancing factor, ddef, putative	0.002	0.0163	0.0558
Echinococcus granulosus	pdz domain containing protein	0.002	0.0163	0.0129
Brugia malayi	GTPase-activator protein for Ras-like GTPase containing protein	0.002	0.0163	0.0479
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0023	0.0188	0.1526
Brugia malayi	PH domain containing protein	0.002	0.0163	0.0479
Onchocerca volvulus		0.0036	0.0327	0.0655
Echinococcus multilocularis	regulator of G protein signaling 3	0.0096	0.0981	0.095
Echinococcus multilocularis	muscleblind protein	0.0152	0.1599	0.157
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Schistosoma mansoni	hypothetical protein	0.002	0.0163	0.0163
Echinococcus granulosus	DCC interacting protein 13 beta	0.002	0.0163	0.0129
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0055	0.002
Echinococcus multilocularis	cytohesin 1	0.002	0.0163	0.0129
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.027	0.0216
Schistosoma mansoni	hypothetical protein	0.0036	0.0332	0.0332
Trichomonas vaginalis	centaurin/arf, putative	0.002	0.0163	0.0558
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Leishmania major	hypothetical protein, conserved	0.0036	0.0327	1
Trichomonas vaginalis	hypothetical protein	0.002	0.0163	0.0558
Echinococcus multilocularis	Pleckstrin y	0.002	0.0163	0.0129
Echinococcus granulosus	ras specific guanine nucleotide releasing factor	0.002	0.0163	0.0129
Leishmania major	serine/threonine-protein kinase a, putative	0.0023	0.0188	0.1526
Brugia malayi	Oxysterol-binding protein	0.002	0.0163	0.0479
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0981	0.3641
Schistosoma mansoni	hypothetical protein	0.002	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Schistosoma mansoni	growth factor receptor-bound protein	0.002	0.0163	0.0163
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0327	1
Brugia malayi	regulator of G-protein signaling egl-10	0.0096	0.0981	0.406
Brugia malayi	GTP-ase activating protein for Arf containing protein	0.002	0.0163	0.0479
Entamoeba histolytica	protein kinase, putative	0.0023	0.0188	0.0306
Echinococcus granulosus	Oxysterol binding protein 11	0.002	0.0163	0.0129
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0096	0.0981	0.0931
Echinococcus granulosus	beta 1 syntrophin	0.002	0.0163	0.0129
Loa Loa (eye worm)	rho-GTPase-activating	0.002	0.0163	0.0109
Entamoeba histolytica	protein kinase, putative	0.0023	0.0188	0.0306
Echinococcus multilocularis	Rho GTPase activating protein 24	0.002	0.0163	0.0129
Onchocerca volvulus		0.003	0.027	0.0427
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0188	0.0306
Echinococcus multilocularis	collagen type iv alpha 3 binding protein	0.002	0.0163	0.0129
Loa Loa (eye worm)	GTP-ase activating protein for Arf containing protein	0.002	0.0163	0.0109
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.0923	0.0873
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0327	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0327	0.0274
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.002	0.0163	0.0129
Echinococcus multilocularis	Ras associated and pleckstrin y	0.002	0.0163	0.0129
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0923	0.0891
Brugia malayi	CXXC zinc finger family protein	0.003	0.027	0.0948
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0096	0.0981	0.095
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Echinococcus granulosus	arf GAP with coiled coil ANK repeat and PH	0.002	0.0163	0.0129
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0578	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0981	0.3641
Echinococcus multilocularis	muscleblind protein 1	0.0152	0.1599	0.157
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0327	0.1176
Echinococcus granulosus	type II inositol 34 bisphosphate 4 phosphatase	0.002	0.0163	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0513	0.046
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0096	0.0981	0.406
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0981	0.0931
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0981	0.0931
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0327	0.0274
Brugia malayi	Uncoordinated protein 104	0.002	0.0163	0.0479
Brugia malayi	Pleckstrin Homology Domain	0.002	0.0163	0.0479
Schistosoma mansoni	hypothetical protein	0.0017	0.0121	0.0121
Echinococcus multilocularis	G protein coupled receptor kinase 1	0.0828	0.8959	0.8955
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0924	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0327	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0121	0.0121
Schistosoma mansoni	z-protein (S1r protein)	0.0096	0.0981	0.0981
Plasmodium vivax	calcium-dependent protein kinase 7, putative	0.0023	0.0188	0.1526
Trypanosoma brucei	NEK family Serine/threonine-protein kinase, putative	0.0023	0.0188	0.1526
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Echinococcus multilocularis	Pleckstrin y	0.002	0.0163	0.0129
Echinococcus multilocularis	cpg binding protein	0.0032	0.0289	0.0255
Trypanosoma brucei	protein kinase, putative	0.0023	0.0188	0.1526
Echinococcus granulosus	Pleckstrin y	0.002	0.0163	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0332	0.0278
Brugia malayi	Muscleblind-like protein	0.0152	0.1599	0.6764
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0096	0.0981	0.095
Echinococcus granulosus	serine/threonine protein kinase	0.0023	0.0188	0.0154
Loa Loa (eye worm)	cytohesin 3	0.002	0.0163	0.0109
Echinococcus granulosus	Pleckstrin domain containing protein family B	0.002	0.0163	0.0129
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0923	0.0923
Schistosoma mansoni	hypothetical protein	0.0017	0.0121	0.0121
Trichomonas vaginalis	protein transport protein sec7, putative	0.002	0.0163	0.0558
Schistosoma mansoni	hypothetical protein	0.002	0.0163	0.0163
Echinococcus granulosus	cpg binding protein	0.0032	0.0289	0.0255
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.029	0.029
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Brugia malayi	Variant SH3 domain containing protein	0.002	0.0163	0.0479
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.029	0.029
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0023	0.0188	0.1526
Echinococcus granulosus	myotubularin protein 13	0.002	0.0163	0.0129
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0098	0.1006	0.417
Trichomonas vaginalis	centaurin beta, putative	0.002	0.0163	0.0558
Echinococcus granulosus	Arf GAP and Pleckstrin domain containing protein	0.002	0.0163	0.0129
Brugia malayi	PH domain containing protein	0.002	0.0163	0.0479
Schistosoma mansoni	dynamin	0.002	0.0163	0.0163
Schistosoma mansoni	hypothetical protein	0.002	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0981	0.0931
Schistosoma mansoni	regulator of G protein signaling	0.0096	0.0981	0.0981
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0327	0.5
Schistosoma mansoni	rho gtpase activating protein	0.002	0.0163	0.0163
Trichomonas vaginalis	set domain proteins, putative	0.0251	0.2668	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0923	0.0891
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0327	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0981	0.0931
Brugia malayi	PH domain containing protein	0.002	0.0163	0.0479
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0327	0.1197
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0981	0.3641
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0023	0.0188	0.1526
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0327	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.029	0.0256
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.022	0.2338	0.2296
Entamoeba histolytica	ARF GTPase activating protein, putative	0.002	0.0163	0.00000017557
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0023	0.0188	0.0652
Loa Loa (eye worm)	Plekhf2 protein	0.002	0.0163	0.0109
Schistosoma mansoni	hypothetical protein	0.0017	0.0121	0.0121
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0327	0.0274
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0188	0.0306
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.029	0.029
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.002	0.0163	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Trichomonas vaginalis	kinesin light chain, putative	0.002	0.0163	0.0558
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0121	0.0087
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Echinococcus multilocularis	arf GAP with coiled coil, ANK repeat and PH	0.002	0.0163	0.0129
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Brugia malayi	Variant SH3 domain containing protein	0.002	0.0163	0.0479
Echinococcus multilocularis	GRB2 associated binding protein 3	0.002	0.0163	0.0129
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Brugia malayi	Plekhf2 protein	0.002	0.0163	0.0479
Echinococcus multilocularis	oxysterol binding protein 1	0.002	0.0163	0.0129
Schistosoma mansoni	oxysterol-binding protein 1	0.002	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0981	0.0931
Brugia malayi	hypothetical protein	0.002	0.0163	0.0479
Loa Loa (eye worm)	hypothetical protein	0.002	0.0163	0.0109
Echinococcus granulosus	oxysterol binding protein 3	0.002	0.0163	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0981	0.3641
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0327	0.0274
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0188	0.0652
Onchocerca volvulus		0.0036	0.0327	0.0655
Echinococcus granulosus	axis inhibition protein axin	0.0096	0.0981	0.095
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0121	0.0067
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0121	0.0087
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0327	0.0274
Brugia malayi	PH domain containing protein	0.002	0.0163	0.0479
Schistosoma mansoni	myotubularin-related protein	0.002	0.0163	0.0163
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0327	0.1176
Schistosoma mansoni	cpg binding protein	0.003	0.027	0.027
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0035	0.0035
Schistosoma mansoni	oxysterol-binding protein 1	0.002	0.0163	0.0163
Trichomonas vaginalis	centaurin gamma, putative	0.002	0.0163	0.0558
Echinococcus granulosus	Rho GTPase activating protein 24	0.002	0.0163	0.0129
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0121	0.0087
Schistosoma mansoni	guanyl-nucleotide exchange factor	0.002	0.0163	0.0163
Schistosoma mansoni	serine/threonine protein kinase	0.0924	1	1
Trichomonas vaginalis	guanyl-nucleotide exchange factor, putative	0.002	0.0163	0.0558
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0163	0.0558
Loa Loa (eye worm)	RhoGEF domain-containing protein	0.002	0.0163	0.0109
Schistosoma mansoni	regulator of G protein signaling	0.0096	0.0981	0.0981
Echinococcus granulosus	cytohesin 1	0.002	0.0163	0.0129

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 6.8 umol/L	Antiproliferative activity against human A549 cells assessed as cell viability after 72 hrs by MTT assay	ChEMBL.	24012378

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	24012378

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL2442578

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1791638